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COCONUT Compound

genistein

CNP0174866.0 · C15H10O5 · View on COCONUT ↗

2D Structure

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Identifiers

Namegenistein
IUPAC Name5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
COCONUT IDCNP0174866.0
CAS446-72-0, 690224-00-1
InChIKeyTZBJGXHYKVUXJN-UHFFFAOYSA-N
InChIInChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
SMILESO=C1C(C2=CC=C(O)C=C2)=COC2=CC(O)=CC(O)=C12

Properties

Molecular FormulaC15H10O5
Molecular Weight270.24
Exact Mass270.05282
Log P (ALogP)2.58
TPSA90.90
H-Bond Donors / Acceptors3 / 5
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.63
NP-likeness1.35

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassIsoflavonoids
NP ClassIsoflavones
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassIsoflavonoids
Chemical SubclassIsoflav-2-enes

Reported in GR-MAPs Plants

Mucuna pruriens as “Mucuna Pruriens” in COCONUT
Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Matricaria chamomilla as “Chamomilla recutita” in COCONUT
Vitex negundo as “Vitex negundo” in COCONUT
Glycyrrhiza glabra as “Glycyrrhiza glabra” in COCONUT
Oryza sativa as “Oryza sativa” in COCONUT

References (326)

  1. 10.1002/(SICI)1099-1565(199707)8:4<176::AID-PCA351>3.0.CO;2-K
  2. 10.1002/(SICI)1099-1565(199907/08)10:4<198::AID-PCA454>3.0.CO;2-C
  3. 10.1002/(SICI)1099-1573(199903)13:2<163::AID-PTR405>3.0.CO;2-
  4. 10.1002/9780470744307.gat218
  5. 10.1002/CBDV.200900227
  6. 10.1002/CHIN.200401193
  7. 10.1002/ELPS.201300646
  8. 10.1002/HLCA.200890108
  9. 10.1002/HLCA.201000250
  10. 10.1002/JCCS.199800035
  11. 10.1002/JLAC.197419740816
  12. 10.1002/JSSC.200600289
  13. 10.1002/PCA.646
  14. 10.1002/PTR.2327
  15. 10.1002/PTR.2403
  16. 10.1002/food.19880321030
  17. 10.1002/ptr.6000
  18. 10.1006/JFCA.2000.0948
  19. 10.1007/BF00381261
  20. 10.1007/BF00563607
  21. 10.1007/BF00564317
  22. 10.1007/BF00564618
  23. 10.1007/BF00564619
  24. 10.1007/BF00564927
  25. 10.1007/BF00570657
  26. 10.1007/BF00570687
  27. 10.1007/BF00574601
  28. 10.1007/BF00575192
  29. 10.1007/BF00575726
  30. 10.1007/BF00576208
  31. 10.1007/BF00579059
  32. 10.1007/BF00579982
  33. 10.1007/BF00598182
  34. 10.1007/BF00630020
  35. 10.1007/BF00630268
  36. 10.1007/BF01020159
  37. 10.1007/BF02249700
  38. 10.1007/S10600-006-0264-6
  39. 10.1007/S10600-007-0235-6
  40. 10.1007/S10600-008-9008-0

Showing 40 of 326. See all references on COCONUT.

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.